In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 16 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.19 | 7.03 | -42.27 | 2 | 2 | 1 | 29 | 213.304 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 5.94 | -4.45 | 1 | 2 | 0 | 25 | 212.296 | 4 | ↓ |